Geometry & MOs

Info

ID:	444821
PubChem CID:	135263653
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	536.253589
ΔH_f, kcal/mol:	16.61
Dipole, Da:	7.14
IP(EA), eV:	-9.45(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[3-[4-[[2-[3-(dimethylamino)azetidin-1-yl]-2-oxoethyl]amino]-6-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]azetidin-1-yl]prop-2-enal

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](O[C@@H]1C(C(=O)C(=C2)C#N)(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations