Geometry & MOs

Info

ID:	365414
PubChem CID:	127317813
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	304.201159
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	3.06
IP(EA), eV:	-8.58(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC(C)C

DOS

IR

Vibrations