Geometry & MOs

Info

ID:	304475
PubChem CID:	124753008
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-156.26
Dipole, Da:	5.06
IP(EA), eV:	-8.41(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-methyl-4-[(1-methylindol-6-yl)methyl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN(C)C1(CCOCC1)CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)O

DOS

IR

Vibrations