Geometry & MOs

Info

ID:	128346
PubChem CID:	51040754
Reduced:	OSN4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	474.162723
ΔH_f, kcal/mol:	34.74
Dipole, Da:	4.13
IP(EA), eV:	-8.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-6-oxopyridin-3-yl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(S1)N)C(=O)N(N=C2N)C3=CC=CC=C3

DOS

IR

Vibrations