Geometry & MOs

Info

ID:	120778
PubChem CID:	50744141
Reduced:	ClN4O5C26H29 (1)
Stoich.:	AB4C5D26E29 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	-180.74
Dipole, Da:	10.85
IP(EA), eV:	-8.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2=CC3=C(C=C2NC(=O)CC4=CC=C(C=C4)Cl)N(C(=O)C(=O)N3C)C

DOS

IR

Vibrations