Geometry & MOs

Info

ID:	80550
PubChem CID:	49835095
Reduced:	ON4H22C23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	61.37
Dipole, Da:	5.45
IP(EA), eV:	-8.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(2-phenylethyl)urea

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NC=C1)/C=N/NC(=O)CCN3C=C(C4=CC=CC=C43)C

DOS

IR

Vibrations