Geometry & MOs

Info

ID:	447160
PubChem CID:	135280830
Reduced:	OC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	265.157898
ΔH_f, kcal/mol:	-189.24
Dipole, Da:	3.58
IP(EA), eV:	-9.49(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-N-(methylideneamino)-C-(2-phenylethyl)carbonimidoyl]phenyl]methanamine

Drug info:

PubChemData

Smile

CCC(=O)C1=CC(C(C(C1)OCC)OC(C)C)OCC

DOS

IR

Vibrations