Geometry & MOs

Info

ID:	171905
PubChem CID:	75439063
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	-90.95
Dipole, Da:	6.68
IP(EA), eV:	-8.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CCC(=O)NC1CCCN(C1)CC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations