Geometry & MOs

Info

ID:	364556
PubChem CID:	127315808
Reduced:	O2N6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	332.144868
ΔH_f, kcal/mol:	17.45
Dipole, Da:	3.07
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=NC2=NC=NN2C(=C1)N3CCCC3C(=O)NC4CC4

DOS

IR

Vibrations