Geometry & MOs

Info

ID:	46078
PubChem CID:	10521265
Reduced:	N2O2C8H15 (2)
Stoich.:	A2B2C8D15 (2)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	-162.56
Dipole, Da:	4.85
IP(EA), eV:	-9.64(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-phenyltriazolo[1,5-a]quinazolin-5-amine

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)OC)N(CCCCN=[N+]=[N-])C(=O)OC(C)(C)C

DOS

IR

Vibrations