Geometry & MOs

Info

ID:	70270
PubChem CID:	48409874
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	5.84
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)NCC3=C(N(N=C3C)CCOC)C

DOS

IR

Vibrations