Geometry & MOs

Info

ID:	69918
PubChem CID:	47205753
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	2.19
IP(EA), eV:	-9.09(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-4-yl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)NC(=O)CC2C(=O)NC(=O)N2

DOS

IR

Vibrations