Geometry & MOs

Info

ID:	443150
PubChem CID:	135257847
Reduced:	ClO3N6C19H29 (1)
Stoich.:	AB3C6D19E29 (1)
Weight, g/mol:	204.183778
ΔH_f, kcal/mol:	-93.66
Dipole, Da:	2.79
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminoheptoxy]-(ethylamino)methanol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)CCl)CCCCC[C@@H](CCO)NC2=NC(=NC=C2O)NC(=O)C

DOS

IR

Vibrations