Geometry & MOs

Info

ID:	176845
PubChem CID:	76104529
Reduced:	N3O9C38H45 (1)
Stoich.:	A3B9C38D45 (1)
Weight, g/mol:	495.252192
ΔH_f, kcal/mol:	-304.23
Dipole, Da:	1.44
IP(EA), eV:	-7.9(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[4-(3,5-dimethylbenzoyl)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CN(C)CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)OCCCNC(=O)C4=CC5=C(C=C(C=C5)C6C(C(C(C(O6)CO)O)O)O)OC4=O

DOS

IR

Vibrations