Geometry & MOs

Info

ID:	435438
PubChem CID:	135191468
Reduced:	ClNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	213.184112
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	7.97
IP(EA), eV:	-9.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-N-methyl-1-N-(morpholin-3-ylmethyl)pent-2-ene-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=C(NC=C(C(=O)C1)C(=O)Cl)O

DOS

IR

Vibrations