Geometry & MOs

Info

ID:	342244
PubChem CID:	127265021
Reduced:	SN3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	346.03169
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	2.82
IP(EA), eV:	-9.14(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-(2-bromophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)C=C2C(=O)N(C(=S)N2)CC3=CC=CO3

DOS

IR

Vibrations