Geometry & MOs

Info

ID:	320264
PubChem CID:	126659085
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	401.146345
ΔH_f, kcal/mol:	-69.58
Dipole, Da:	8.33
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C2C(=C1N[C@H]3CNCC[C@@H]3C4=CC=CC=C4)C=CC=C2C(=O)N

DOS

IR

Vibrations