Geometry & MOs

Info

ID:	369794
PubChem CID:	127335298
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	362.191818
ΔH_f, kcal/mol:	30.48
Dipole, Da:	3.52
IP(EA), eV:	-8.67(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CN=CN=C3C

DOS

IR

Vibrations