Geometry & MOs

Info

ID:	41900
PubChem CID:	8147706
Reduced:	O4N5C20H24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	342.137315
ΔH_f, kcal/mol:	-110.08
Dipole, Da:	9.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761326
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=O)C(=O)N(C3=O)C4CCCC4

DOS

IR

Vibrations