Geometry & MOs

Info

ID:	424327
PubChem CID:	135122220
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-63.72
Dipole, Da:	3.26
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-5-phenyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC3=C(C=C2)C=C(N3)C(=O)NCCCNC(=O)O

DOS

IR

Vibrations