Geometry & MOs

Info

ID:	314254
PubChem CID:	126621064
Reduced:	NSC12H27 (1)
Stoich.:	ABC12D27 (1)
Weight, g/mol:	496.258674
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	1.69
IP(EA), eV:	-8.46(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[4-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]anilino]quinazolin-8-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(C)(C)CCSCC

DOS

IR

Vibrations