Geometry & MOs

Info

ID:	201102
PubChem CID:	79489598
Reduced:	N2C17H36 (1)
Stoich.:	A2B17C36 (1)
Weight, g/mol:	214.240899
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	2.32
IP(EA), eV:	-8.31(2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(CC)N(CC(C)C)CC1(CCCNC1)CC

DOS

IR

Vibrations