Geometry & MOs

Info

ID:	330527
PubChem CID:	127247934
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	331.156577
ΔH_f, kcal/mol:	-128.78
Dipole, Da:	2.35
IP(EA), eV:	-9.36(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-cyclopentylsulfonyl-N-methyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC(C2)C(=O)NC)C(=O)C

DOS

IR

Vibrations