Geometry & MOs

Info

ID:	13967
PubChem CID:	401080
Reduced:	ClO2N4C26H37 (1)
Stoich.:	AB2C4D26E37 (1)
Weight, g/mol:	472.260504
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	10.11
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-4-propanoylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=C1C)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3Cl)C(=O)CC)C

DOS

IR

Vibrations