Geometry & MOs

Info

ID:	354343
PubChem CID:	127286469
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	7.2
Dipole, Da:	5.84
IP(EA), eV:	-8.87(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations