Geometry & MOs

Info

ID:	416760
PubChem CID:	135090307
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	67.22
Dipole, Da:	4.95
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCN(C)CC2=NN=C(O2)C3=CN=CC=C3)C

DOS

IR

Vibrations