Geometry & MOs

Info

ID:	336322
PubChem CID:	127255329
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	4.03
IP(EA), eV:	-7.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-oxopiperazine-1-carbonyl)phenyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)NC2=CC3=C(C=C2)N(C=C3)C

DOS

IR

Vibrations