Geometry & MOs

Info

ID:	212040
PubChem CID:	81059299
Reduced:	ClNO2C9H18 (1)
Stoich.:	ABC2D9E18 (1)
Weight, g/mol:	243.231063
ΔH_f, kcal/mol:	-122.8
Dipole, Da:	4.15
IP(EA), eV:	-9.4(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylazepan-4-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C(C)Cl

DOS

IR

Vibrations