Geometry & MOs

Info

ID:	137868
PubChem CID:	52275209
Reduced:	FO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-77.7
Dipole, Da:	5.18
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-3-methyl-1-phenylbutyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations