Geometry & MOs

Info

ID:	136824
PubChem CID:	52108088
Reduced:	N7C18H22 (1)
Stoich.:	A7B18C22 (1)
Weight, g/mol:	311.150801
ΔH_f, kcal/mol:	84.35
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.140260
Charge, e:	1

Chem-info

IUPAC name:

2-N-(3,5-dimethoxyphenyl)-4-N-methylquinazolin-3-ium-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=[NH+]3)N)C

DOS

IR

Vibrations