Geometry & MOs

Info

ID:	369190
PubChem CID:	127331492
Reduced:	O4N5C19H29 (1)
Stoich.:	A4B5C19D29 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-164.11
Dipole, Da:	4.57
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CN2C(=O)C3=C(N=CN3C)N(C2=O)C

DOS

IR

Vibrations