Geometry & MOs

Info

ID:	425768
PubChem CID:	135127901
Reduced:	OCl2N5H15C23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	505.248918
ΔH_f, kcal/mol:	92.95
Dipole, Da:	1.67
IP(EA), eV:	-8.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-cyclopropyl-4-fluoroanilino)-2-(3,4-dihydropyridin-3-yl)-4a,8a-dihydroquinazolin-6-yl]oxy]-1-morpholin-4-ylethanol

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=C(C=C(C(=C2)Cl)NC3=NC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5)O

DOS

IR

Vibrations