Geometry & MOs

Info

ID:	44790
PubChem CID:	10505964
Reduced:	NO3C34H43 (1)
Stoich.:	AB3C34D43 (1)
Weight, g/mol:	513.335528
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	4.26
IP(EA), eV:	-8.48(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-[(2R,5S)-2,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

C/C=C/C(C(C)C(=O)O[C@H](C1=CC=CC=C1)[C@H](C)N(CC2=CC=CC=C2C)CC3=C(C=C(C=C3C)C)C)O

DOS

IR

Vibrations