Geometry & MOs

Info

ID:	29443
PubChem CID:	833831
Reduced:	NO2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	17.56
Dipole, Da:	2.32
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(3-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=CC3=CC4=CC=CC=C4C=C3)C(=O)O2

DOS

IR

Vibrations