Geometry & MOs

Info

ID:	362127
PubChem CID:	127305809
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	12.18
IP(EA), eV:	-8.42(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CN3C=CC(=O)C4=CC=CC=C43

DOS

IR

Vibrations