Geometry & MOs

Info

ID:	420752
PubChem CID:	135114763
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	-90.66
Dipole, Da:	3.56
IP(EA), eV:	-9.05(0.11)
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]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CCOC2=CC=CC=C2

DOS

IR

Vibrations