Geometry & MOs

Info

ID:	342939
PubChem CID:	127266102
Reduced:	N3O5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-239.95
Dipole, Da:	7.71
IP(EA), eV:	-10.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutan-2-yl)-2-propyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC#N)NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations