Geometry & MOs

Info

ID:	358304
PubChem CID:	127295849
Reduced:	O3N5C19H33 (1)
Stoich.:	A3B5C19D33 (1)
Weight, g/mol:	395.253255
ΔH_f, kcal/mol:	-153.66
Dipole, Da:	8.95
IP(EA), eV:	-9.08(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-4-(2-methylpropanoyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations