Geometry & MOs

Info

ID:	365436
PubChem CID:	127317835
Reduced:	SO2N4C20H34 (1)
Stoich.:	AB2C4D20E34 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-90.47
Dipole, Da:	2.73
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-4,7-dimethyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCC3CN(CCO3)CC(C)C

DOS

IR

Vibrations