Geometry & MOs

Info

ID:	296948
PubChem CID:	117602093
Reduced:	IO2N7C22H24 (1)
Stoich.:	AB2C7D22E24 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	62.18
Dipole, Da:	7.5
IP(EA), eV:	-9.12(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C1=NN(C(=O)N1I)C2=NC(=C(C=C2)OC3=CC(=NC=C3)C4=CN(N=C4)C)C

DOS

IR

Vibrations