Geometry & MOs

Info

ID:	223650
PubChem CID:	85335368
Reduced:	O2N3F4C24H35 (1)
Stoich.:	A2B3C4D24E35 (1)
Weight, g/mol:	473.253923
ΔH_f, kcal/mol:	-326.46
Dipole, Da:	3.9
IP(EA), eV:	-9.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[(3-methyl-2-pyridin-2-ylbutanoyl)amino]-N-(2H-triazol-4-ylmethyl)-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(CC(C)C)C(=O)N1CCC(CC1)NCC2=CC(=CC(=C2)F)C(F)(F)F)C(=O)N

DOS

IR

Vibrations