Geometry & MOs

Info

ID:	177248
PubChem CID:	76153376
Reduced:	N3O6C19H29 (1)
Stoich.:	A3B6C19D29 (1)
Weight, g/mol:	412.159849
ΔH_f, kcal/mol:	-264.24
Dipole, Da:	9.79
IP(EA), eV:	-9.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[[2-(2,4-difluorophenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NC1(CCCC1)C(=O)NC(CC2=NC(=CO2)CC)C(=O)O

DOS

IR

Vibrations