Geometry & MOs

Info

ID:	310608
PubChem CID:	126583710
Reduced:	NC10H13 (1)
Stoich.:	AB10C13 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	58.03
Dipole, Da:	2.12
IP(EA), eV:	-7.99(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-3-amino-2-(4-methylbenzenecarboximidoyl)but-2-enyl]phenol

Drug info:

PubChemData

Smile

CC1=C[C@](C(=CN1)C)(C)C#C

DOS

IR

Vibrations