Geometry & MOs

Info

ID:	347395
PubChem CID:	127272244
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-134.78
Dipole, Da:	5.3
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations