Geometry & MOs

Info

ID:	49494
PubChem CID:	11533116
Reduced:	NOC16H18 (2)
Stoich.:	ABC16D18 (2)
Weight, g/mol:	480.310041
ΔH_f, kcal/mol:	4.71
Dipole, Da:	3.11
IP(EA), eV:	-8.39(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-(4-propylpiperazin-1-yl)methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

C=CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NCC3C4CCC3CN(C4)CC5=CC=CC=C5

DOS

IR

Vibrations