Geometry & MOs

Info

ID:	244710
PubChem CID:	99381079
Reduced:	ClO3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	3.37
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyridin-4-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CC(=O)NC2=CN(N=C2)CC(=O)NC3CCCC3)Cl

DOS

IR

Vibrations