Geometry & MOs

Info

ID:	424252
PubChem CID:	135121915
Reduced:	BNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	317.160023
ΔH_f, kcal/mol:	-183.95
Dipole, Da:	1.38
IP(EA), eV:	-8.35(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-ylpropyl)-4-(2H-tetrazol-5-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)CCO

DOS

IR

Vibrations