Geometry & MOs

Info

ID:	425752
PubChem CID:	135127796
Reduced:	ClFO2N5C27H47 (1)
Stoich.:	ABC2D5E27F47 (1)
Weight, g/mol:	378.124739
ΔH_f, kcal/mol:	-146.23
Dipole, Da:	6.41
IP(EA), eV:	-8.8(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4Z)-6-chlorohepta-2,4,6-trien-3-yl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1CCC(CN1)C2NC3CCC(=CC3C(N2)NC4CCC(C(C4)Cl)F)C5CCC(NC5OC)OC

DOS

IR

Vibrations