Geometry & MOs

Info

ID:	242888
PubChem CID:	99213627
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	430.175339
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	3.64
IP(EA), eV:	-8.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)OC[C@@H]3CCCO3

DOS

IR

Vibrations