Geometry & MOs

Info

ID:	195156
PubChem CID:	78644920
Reduced:	N2O2C25H28 (1)
Stoich.:	A2B2C25D28 (1)
Weight, g/mol:	275.084081
ΔH_f, kcal/mol:	-34.65
Dipole, Da:	5.76
IP(EA), eV:	-9.16(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C=C(C2C(=O)NC3CCCCC3N2)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations