Geometry & MOs

Info

ID:	416030
PubChem CID:	135089035
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	5.59
IP(EA), eV:	-9.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations