Geometry & MOs

Info

ID:	173694
PubChem CID:	75670823
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	6.78
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

DOS

IR

Vibrations