Geometry & MOs

Info

ID:	123445
PubChem CID:	50847686
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	5.63
IP(EA), eV:	-8.73(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethylphenyl)methyl]-2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CCC4=CC=CC=C4C3C(=O)N5CCCC5

DOS

IR

Vibrations