Geometry & MOs

Info

ID:	353625
PubChem CID:	127285202
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	352.168145
ΔH_f, kcal/mol:	-43.64
Dipole, Da:	4.16
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)NCC3CCN(CC3)C(=O)C)C

DOS

IR

Vibrations