Geometry & MOs

Info

ID:	17463
PubChem CID:	499931
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	6.57
IP(EA), eV:	-8.59(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(2-aminoanilino)-2-hydroxypropyl]-4-phenylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=C1C2=CC=CC=C2)CC(CNC3=CC=CC=C3N)O

DOS

IR

Vibrations