Geometry & MOs

Info

ID:	171344
PubChem CID:	75364551
Reduced:	NO3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-308.76
Dipole, Da:	7.39
IP(EA), eV:	-9.97(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[1-(2-fluorophenyl)pyrazole-4-carbonyl]amino]-4-methylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)OCCN2CCOC2=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations