Geometry & MOs

Info

ID:	217963
PubChem CID:	85088662
Reduced:	PN2O10C15H21 (1)
Stoich.:	AB2C10D15E21 (1)
Weight, g/mol:	422.194103
ΔH_f, kcal/mol:	-474.98
Dipole, Da:	1.63
IP(EA), eV:	-8.95(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(1-amino-2,2,2-trifluoroethyl)-4-hydroxypyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(C(C(=O)N1)O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O)COP(=O)(O)O

DOS

IR

Vibrations