Geometry & MOs

Info

ID:	217641
PubChem CID:	85088149
Reduced:	O2N3C9H10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	1.99
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrazole-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2C(C(OC2N3C=NC4=C(N=CN=C43)N)CO)O

DOS

IR

Vibrations