Geometry & MOs

Info

ID:	204293
PubChem CID:	79943762
Reduced:	BN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	289.161269
ΔH_f, kcal/mol:	-126.63
Dipole, Da:	5.41
IP(EA), eV:	-8.61(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiophen-2-yl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

B(C1=CC=C(C=C1)CN2CCN3CCCC3C2)(O)O

DOS

IR

Vibrations