Geometry & MOs

Info

ID:	137866
PubChem CID:	52274718
Reduced:	FON2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774742
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)[NH+](C)CC(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations