Geometry & MOs

Info

ID:	351073
PubChem CID:	127279510
Reduced:	ON2C8H16 (2)
Stoich.:	AB2C8D16 (2)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	4.25
IP(EA), eV:	-8.64(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC(=O)NCCN2CCCCC2)C

DOS

IR

Vibrations