Geometry & MOs

Info

ID:	440560
PubChem CID:	135230557
Reduced:	FO5N9C28H30 (1)
Stoich.:	AB5C9D28E30 (1)
Weight, g/mol:	363.212219
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	7.83
IP(EA), eV:	-9.1(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-cyclohexylethyl)-5-[(2,4-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=NN(C(=O)C(=C2)C(=O)N)C)C3=CC=CC=C3)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=NC=C5)F)CCOC

DOS

IR

Vibrations