Geometry & MOs

Info

ID:	26376
PubChem CID:	645559
Reduced:	N5C17H17 (1)
Stoich.:	A5B17C17 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	102.19
Dipole, Da:	4.11
IP(EA), eV:	-8.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-methylpiperidine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)NCCCN3C=CN=C3)C#N

DOS

IR

Vibrations