Geometry & MOs

Info

ID:	212068
PubChem CID:	81059381
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	174.173213
ΔH_f, kcal/mol:	-148.52
Dipole, Da:	5.43
IP(EA), eV:	-9.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=C(C=CC=N1)C(=O)O

DOS

IR

Vibrations