Geometry & MOs

Info

ID:	135896
PubChem CID:	51954764
Reduced:	O4N6C25H30 (1)
Stoich.:	A4B6C25D30 (1)
Weight, g/mol:	390.09429
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	2.65
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCC[C@H]2C3=CC(=NO3)C)NC(=O)N4CCC[C@H]4C5=CC(=NO5)C

DOS

IR

Vibrations