Geometry & MOs

Info

ID:	231195
PubChem CID:	87572924
Reduced:	ClNO2H8C14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	555.285698
ΔH_f, kcal/mol:	44.65
Dipole, Da:	6.18
IP(EA), eV:	-9.44(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-6,7-dimethoxy-4-morpholin-4-ylquinazolin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3[N+](=O)[O-])Cl

DOS

IR

Vibrations