Geometry & MOs

Info

ID:	258247
PubChem CID:	103152252
Reduced:	NO6C14H19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	172.157563
ΔH_f, kcal/mol:	-240.85
Dipole, Da:	5.23
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(cyclopropylmethyl)-2-methoxybutane-1,4-diamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NCC(CC(=O)O)OC)OC

DOS

IR

Vibrations