Geometry & MOs

Info

ID:	47725
PubChem CID:	10534931
Reduced:	O2C4N5H7 (1)
Stoich.:	A2B4C5D7 (1)
Weight, g/mol:	157.089149
ΔH_f, kcal/mol:	-3.45
Dipole, Da:	6.84
IP(EA), eV:	-9.67(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-methyl-3-phenylbut-2-enenitrile

Drug info:

PubChemData

Smile

C1=NN=C(N1NCC(=O)O)N

DOS

IR

Vibrations