Geometry & MOs

Info

ID:	365401
PubChem CID:	127317800
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	2.56
IP(EA), eV:	-8.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4,7-dimethyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)NC3=CC=C(C=C3)OCC4CC4

DOS

IR

Vibrations