Geometry & MOs

Info

ID:	267338
PubChem CID:	103581894
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	331.06841
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	1.3
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3,5-dimethylanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2=C(C(=CC=C2)OC)O

DOS

IR

Vibrations