Geometry & MOs

Info

ID:	378984
PubChem CID:	134228765
Reduced:	FO3N8C31H39 (1)
Stoich.:	AB3C8D31E39 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-46.14
Dipole, Da:	7.98
IP(EA), eV:	-8.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethenyl-5-propan-2-ylphenyl)-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C(C)C)C=C(C=C2F)C3=NC(=NC=C3OC)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC

DOS

IR

Vibrations