Geometry & MOs

Info

ID:	204205
PubChem CID:	79931521
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-150.64
Dipole, Da:	4.34
IP(EA), eV:	-8.91(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)triazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(CC(C1)NC(=O)N2CCN3CCCC3C2)C(=O)O

DOS

IR

Vibrations