Geometry & MOs

Info

ID:	320438
PubChem CID:	126661006
Reduced:	NOSH15C16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	319.154544
ΔH_f, kcal/mol:	4.15
Dipole, Da:	2.97
IP(EA), eV:	-8.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-cyano-1-[4-[(Z)-[2-(methylamino)pyrrol-3-ylidene]-(methylideneamino)methyl]pyrazol-1-yl]ethyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)C(=CN(C2=O)C)C3=CC=CC=C3

DOS

IR

Vibrations