Geometry & MOs

Info

ID:	210686
PubChem CID:	80840363
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	5.88
IP(EA), eV:	-8.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=C(C(=CC=C1)NCC2CCCCC2O)[N+](=O)[O-]

DOS

IR

Vibrations