Geometry & MOs

Info

ID:	415395
PubChem CID:	135088389
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	1.29
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CC=CC=C3C4=NC=CN4C)OCC1

DOS

IR

Vibrations