Geometry & MOs

Info

ID:	354386
PubChem CID:	127286630
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	7.12
Dipole, Da:	4.48
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations