Geometry & MOs

Info

ID:	320765
PubChem CID:	126663286
Reduced:	SN4O11C32H56 (1)
Stoich.:	AB4C11D32E56 (1)
Weight, g/mol:	174.136828
ΔH_f, kcal/mol:	-558.07
Dipole, Da:	10.71
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 3-(methylamino)propanoate

Drug info:

PubChemData

Smile

CCC(CO)OC(COC(=O)CCCC(=O)NCCSC1CC(=O)N(C1=O)CCC(=O)NC(C)(C)CCOC(C)(C)CC(=O)NC)OC

DOS

IR

Vibrations