Geometry & MOs

Info

ID:	361994
PubChem CID:	127305340
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	3.6
IP(EA), eV:	-8.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)oxan-4-yl]-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCOC(C4)CN5C=CC=N5

DOS

IR

Vibrations