Geometry & MOs

Info

ID:	300445
PubChem CID:	121282172
Reduced:	SN2O3C14H24 (1)
Stoich.:	AB2C3D14E24 (1)
Weight, g/mol:	488.276296
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	1.87
IP(EA), eV:	-9.0(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(cyclopropylmethyl)-1-methyl-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(methylamino)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CCCOC(=O)C1(CCCCC1)NC(=O)N2CCSC2

DOS

IR

Vibrations