Geometry & MOs

Info

ID:	252246
PubChem CID:	103110026
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	3.45
IP(EA), eV:	-8.41(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-1-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2C(C2(C)C)(C)C

DOS

IR

Vibrations