Geometry & MOs

Info

ID:	231537
PubChem CID:	87574067
Reduced:	N2O5C6H8 (1)
Stoich.:	A2B5C6D8 (1)
Weight, g/mol:	325.134575
ΔH_f, kcal/mol:	-107.67
Dipole, Da:	5.09
IP(EA), eV:	-10.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-phenylpentan-3-yl)quinazolin-4-amine

Drug info:

PubChemData

Smile

C1CN(C(=N1)C(=O)OO)CC(=O)O

DOS

IR

Vibrations