Geometry & MOs

Info

ID:	46541
PubChem CID:	10525090
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	401.190341
ΔH_f, kcal/mol:	64.1
Dipole, Da:	8.89
IP(EA), eV:	-8.3(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylindol-3-yl]-N-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)NCC5=C(C=CC(=C5)[N+](=O)[O-])N)N(C2)C3

DOS

IR

Vibrations