Geometry & MOs

Info

ID:	321324
PubChem CID:	126665805
Reduced:	O2F3N4H19C24 (1)
Stoich.:	A2B3C4D19E24 (1)
Weight, g/mol:	575.205671
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	1.94
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminoquinazolin-6-yl)-N-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F

DOS

IR

Vibrations