Geometry & MOs

Info

ID:	438235
PubChem CID:	135227929
Reduced:	BrON2C28H31 (1)
Stoich.:	ABC2D28E31 (1)
Weight, g/mol:	330.128075
ΔH_f, kcal/mol:	67.31
Dipole, Da:	1.61
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoropyridin-2-yl)-6-methyl-N-phenylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1(CC(=N)C2=C(C1CCC(C3=CC=CC=N3)/C(=C/C=C\C=C)/C=C)C=C(C=C2)Br)OC

DOS

IR

Vibrations