Geometry & MOs

Info

ID:	31618
PubChem CID:	855942
Reduced:	N4H18C21 (1)
Stoich.:	A4B18C21 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	140.65
Dipole, Da:	2.64
IP(EA), eV:	-8.2(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=NC=C4

DOS

IR

Vibrations