Geometry & MOs

Info

ID:	348204
PubChem CID:	127273269
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	2.55
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2C(=O)NCCN3C(=NC4=CC=CC=C43)C

DOS

IR

Vibrations