Geometry & MOs

Info

ID:	343903
PubChem CID:	127267079
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-88.46
Dipole, Da:	0.8
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NCC2=C(C=NN2C)C(=O)OC(C)(C)C

DOS

IR

Vibrations