Geometry & MOs

Info

ID:	189443
PubChem CID:	77856937
Reduced:	OSC25H30 (1)
Stoich.:	ABC25D30 (1)
Weight, g/mol:	420.205882
ΔH_f, kcal/mol:	-24.17
Dipole, Da:	7.2
IP(EA), eV:	-8.41(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-3-(dimethylamino)propanoyl]-(3-methylbutyl)amino]-3-phenylpropanamide;dihydrochloride

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4=CC(=O)C(=CC4(C3CC2)C)SC5=CC=CC=C5

DOS

IR

Vibrations