Geometry & MOs

Info

ID:	306418
PubChem CID:	125011638
Reduced:	O2N4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	293.152812
ΔH_f, kcal/mol:	-19.96
Dipole, Da:	3.24
IP(EA), eV:	-9.39(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-(naphthalen-2-ylmethyl)-3-(1H-pyrazol-5-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CN=CC(=N2)[C@H]3CCCN3C(=O)C(C)(C)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations