Geometry & MOs

Info

ID:	149283
PubChem CID:	53788955
Reduced:	SN4O5C16H20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	13.08
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-ethenyl-1,1-diethoxybutan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=CN=C2C=CN(C)C)[N+](=O)[O-]

DOS

IR

Vibrations