Geometry & MOs

Info

ID:	436684
PubChem CID:	135207504
Reduced:	N4O5C23H30 (1)
Stoich.:	A4B5C23D30 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	3.76
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1-N,2-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)C(CC1=CC=C(C=C1)O)CNC(=O)NCCCN2C(=O)C3C4C=CC(C3C2=O)O4

DOS

IR

Vibrations