Geometry & MOs

Info

ID:	392140
PubChem CID:	135013238
Reduced:	IO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	395.163377
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	2.94
IP(EA), eV:	-9.29(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-benzylideneamino]-3-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/O[C@@H]1C2C3CC4C2C(C5=CC=CC=C15)OC4C3I

DOS

IR

Vibrations