Geometry & MOs

Info

ID:	309467
PubChem CID:	126546456
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	1.58
IP(EA), eV:	-9.08(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(methylamino)-4-methyliminobut-2-enamide

Drug info:

PubChemData

Smile

C/C=C(\C=C/C=C)/C(=O)NC[C@H](CN1CCC2=CC=CC=C2C1)O

DOS

IR

Vibrations