Geometry & MOs

Info

ID:	335910
PubChem CID:	127254772
Reduced:	N4O5H16C17 (1)
Stoich.:	A4B5C16D17 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	5.82
IP(EA), eV:	-9.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COCC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C3=CC(=O)C(=CO3)OC

DOS

IR

Vibrations