Geometry & MOs

Info

ID:	406129
PubChem CID:	135076604
Reduced:	BrNO2H22C23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	262.01056
ΔH_f, kcal/mol:	3.6
Dipole, Da:	2.0
IP(EA), eV:	-8.9(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[1-(2-bromophenyl)pyrrolidin-2-ylidene]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N(CC=C)CC2=C(C(=O)C3=CC=CC=C3C2=O)Br)C

DOS

IR

Vibrations