Geometry & MOs

Info

ID:	428567
PubChem CID:	135167681
Reduced:	N2C21H42 (1)
Stoich.:	A2B21C42 (1)
Weight, g/mol:	561.22161
ΔH_f, kcal/mol:	-75.56
Dipole, Da:	1.72
IP(EA), eV:	-8.34(2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methylideneamino]-2-(5-iodo-5-methylcyclohepta-1,3,6-trien-1-yl)-N-octylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)CCN1CCC(CC1)CC2CCN(CC2)C(C)(C)C

DOS

IR

Vibrations