Geometry & MOs

Info

ID:	421437
PubChem CID:	135116010
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	2.46
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC2=NOC(=C2C(=O)O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations