Geometry & MOs

Info

ID:	163300
PubChem CID:	57715846
Reduced:	O2N5C28H39 (1)
Stoich.:	A2B5C28D39 (1)
Weight, g/mol:	423.218974
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	2.99
IP(EA), eV:	-8.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-[2-(3-chlorophenyl)ethylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)CNCC2CCC(CC2)NC3=NC4=CC=CC=C4C(=N3)N(C)C)OCC

DOS

IR

Vibrations