Geometry & MOs

Info

ID:	449830
PubChem CID:	135301969
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	159.068414
ΔH_f, kcal/mol:	-108.36
Dipole, Da:	0.78
IP(EA), eV:	-9.13(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-iminoprop-1-en-2-yl)benzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)CN2CCC3(C2)CCN(C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations