Geometry & MOs

Info

ID:	356933
PubChem CID:	127292543
Reduced:	O2N5C19H35 (1)
Stoich.:	A2B5C19D35 (1)
Weight, g/mol:	361.214761
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	3.88
IP(EA), eV:	-8.32(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)N2CCCC(C2)C(=O)NCC3CC3

DOS

IR

Vibrations