Geometry & MOs

Info

ID:	30096
PubChem CID:	839908
Reduced:	BrSN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	20.52
Dipole, Da:	3.62
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyridin-3-ylethylideneamino)cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=NNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations