Geometry & MOs

Info

ID:	31949
PubChem CID:	3724331
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	3.04
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations