Geometry & MOs

Info

ID:	31417
PubChem CID:	855693
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	316.201159
ΔH_f, kcal/mol:	11.19
Dipole, Da:	6.43
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(C=C2C=C1)C#N)SCC(=O)NC3CCCC3

DOS

IR

Vibrations