Geometry & MOs

Info

ID:	329968
PubChem CID:	127246955
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	302.160357
ΔH_f, kcal/mol:	-52.57
Dipole, Da:	2.4
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CN3CCCC3=O

DOS

IR

Vibrations