Geometry & MOs

Info

ID:	330675
PubChem CID:	127248082
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-67.5
Dipole, Da:	3.44
IP(EA), eV:	-8.88(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC3(CCN(C3)C(=O)CN)O

DOS

IR

Vibrations