Geometry & MOs

Info

ID:

190561

PubChem CID:

78021025

Reduced:

N4O11C47H62 (1)

Stoich.:

A4B11C47D62 (1)

Weight, g/mol:

380.41305

ΔHf, kcal/mol:

-357.92

Dipole, Da:

5.04

IP(EA), eV:

 -8.86(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-tert-butyl-1-N,2-N-bis(3,3-dimethylbutyl)-1-N-propan-2-ylcyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CC1C(C=COC2(C(=O)C3=C(O2)C(=C(C4=C3C(=O)C(=CNN5CCN(CC5)C6CCCC6)C(=NC(=O)C(=CC=CC7(C(C(O7)C(C(C(C1O)C)O)C)C)C)C)C4=O)O)C)C)OC

DOS

IR

Vibrations