Geometry & MOs

Info

ID:	349325
PubChem CID:	127275112
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-159.13
Dipole, Da:	2.41
IP(EA), eV:	-8.53(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclohexyl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC2(CCCC2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations