Geometry & MOs

Info

ID:	158027
PubChem CID:	56459417
Reduced:	ClN4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	117.26
Dipole, Da:	5.92
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations