Geometry & MOs

Info

ID:	342672
PubChem CID:	127265832
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-47.48
Dipole, Da:	4.8
IP(EA), eV:	-8.63(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-3-[5-(2-phenylethenyl)tetrazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)NC(=O)NCC2CCN(C2)CCC3=CC=CC=C3

DOS

IR

Vibrations