Geometry & MOs

Info

ID:	417675
PubChem CID:	135102478
Reduced:	ClN2O4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	371.10929
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	5.91
IP(EA), eV:	-8.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC=CO3)Cl

DOS

IR

Vibrations