Geometry & MOs

Info

ID:	368276
PubChem CID:	127327853
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	360.159769
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	2.59
IP(EA), eV:	-9.14(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations