Geometry & MOs

Info

ID:	52369
PubChem CID:	12015211
Reduced:	NSO5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	181.132746
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	5.93
IP(EA), eV:	-9.02(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-(2-prop-1-en-2-yltetrazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(C)(C)C)C

DOS

IR

Vibrations