Geometry & MOs

Info

ID:	41718
PubChem CID:	8146925
Reduced:	N2O3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	384.184265
ΔH_f, kcal/mol:	-73.92
Dipole, Da:	7.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783836
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(1R)-2-methyl-1-(4-propylphenyl)propyl]azanium

Drug info:

PubChemData

Smile

C1C[C@H](C[NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O)O

DOS

IR

Vibrations