Geometry & MOs

Info

ID:	30354
PubChem CID:	841184
Reduced:	BrNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	3.71
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-3-ethyl-5-hydroxy-5-pyridin-3-yl-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@H](C)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations