Geometry & MOs

Info

ID:	376864
PubChem CID:	134222893
Reduced:	FO4N11H22C24 (1)
Stoich.:	AB4C11D22E24 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	69.82
Dipole, Da:	8.68
IP(EA), eV:	-9.44(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethenyl-3-ethylphenyl)methyl]ethenamine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=NON=C2NC(=O)C3CC(CN3CCN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations