Geometry & MOs

Info

ID:	416757
PubChem CID:	135090290
Reduced:	ClN2O5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-224.01
Dipole, Da:	6.96
IP(EA), eV:	-8.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)NC3=CC(=C(C=C3)OC)Cl)O

DOS

IR

Vibrations