Geometry & MOs

Info

ID:	157987
PubChem CID:	56459376
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-141.28
Dipole, Da:	3.45
IP(EA), eV:	-8.99(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CN(C3CC3)C(=O)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations