Geometry & MOs

Info

ID:	129850
PubChem CID:	51074049
Reduced:	ON3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	347.257277
ΔH_f, kcal/mol:	-52.14
Dipole, Da:	2.87
IP(EA), eV:	-8.72(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[2-(3-methylphenoxy)ethyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCCN(CC1)CCCC2=CC=CC=C2

DOS

IR

Vibrations