Geometry & MOs

Info

ID:	270748
PubChem CID:	103637926
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-43.22
Dipole, Da:	2.14
IP(EA), eV:	-8.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCNCC1=CC(=C(C(=C1)Cl)OC)OC)C2CC2

DOS

IR

Vibrations