Geometry & MOs

Info

ID:	146935
PubChem CID:	53774439
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	452.18667
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	4.21
IP(EA), eV:	-8.78(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-[2-[4-[4-(3-chloropropoxy)phenyl]phenoxy]ethyl]-3-methylurea

Drug info:

PubChemData

Smile

CC(=O)C(CCCCN1C=CC=C1)NC

DOS

IR

Vibrations