Geometry & MOs

Info

ID:	335737
PubChem CID:	127254599
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	415.237211
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	2.8
IP(EA), eV:	-9.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-[2-(1-propan-2-ylindol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)N2CCNC(=O)C2)N3C=CC=C3

DOS

IR

Vibrations