Geometry & MOs

Info

ID:	448301
PubChem CID:	135290002
Reduced:	O4N6H18C21 (1)
Stoich.:	A4B6C18D21 (1)
Weight, g/mol:	375.133139
ΔH_f, kcal/mol:	44.24
Dipole, Da:	2.75
IP(EA), eV:	-8.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-[2-(2H-tetrazol-5-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)NC3=NNN=N3)OCC#C

DOS

IR

Vibrations