Geometry & MOs

Info

ID:	39819
PubChem CID:	8142479
Reduced:	NO2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	4.91
Dipole, Da:	7.95
IP(EA), eV:	-8.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)O)NC=C3C=CC=CC3=O

DOS

IR

Vibrations