Geometry & MOs

Info

ID:	38094
PubChem CID:	8026958
Reduced:	NO7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	364.121665
ΔH_f, kcal/mol:	-225.26
Dipole, Da:	9.77
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1S)-1-naphthalen-2-ylethyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=C(OC(=CC2=O)C)O)O[C@H](C)C(=O)N(C)C

DOS

IR

Vibrations