Geometry & MOs

Info

ID:	438844
PubChem CID:	135228602
Reduced:	O2N3C31H41 (1)
Stoich.:	A2B3C31D41 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	8.28
IP(EA), eV:	-7.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-[(Z)-1-(methylamino)prop-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

CC(=C)CCCN(C)/C=C(\C=N)/C1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=O)C)C(C)(C)C)OC

DOS

IR

Vibrations