Geometry & MOs

Info

ID:	137591
PubChem CID:	52231056
Reduced:	O2N3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.984831
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-(3-methoxyphenyl)urea

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC(=C1)CNC(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations