Geometry & MOs

Info

ID:	420298
PubChem CID:	135112296
Reduced:	N2C7H8 (3)
Stoich.:	A2B7C8 (3)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	96.79
Dipole, Da:	4.03
IP(EA), eV:	-8.65(-0.58)
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]-(1H-imidazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations