Geometry & MOs

Info

ID:	320254
PubChem CID:	126659023
Reduced:	N3O4C32H37 (1)
Stoich.:	A3B4C32D37 (1)
Weight, g/mol:	385.110566
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	1.42
IP(EA), eV:	-8.35(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,4S)-4-(2-chloro-6-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C)(C)OC(=O)N1C2=C(C(=CC=C2)N3CCN(CC3)CC4=CC(=CC=C4)C5=CC=CC=C5)OC1=O

DOS

IR

Vibrations