Geometry & MOs

Info

ID:	210698
PubChem CID:	80841735
Reduced:	ClN7C13H18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	81.31
Dipole, Da:	6.12
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(3,4,5-trimethylpyrazol-1-yl)quinazolin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)N2CCCC2)N3C=C(C=N3)Cl

DOS

IR

Vibrations