Geometry & MOs

Info

ID:	361985
PubChem CID:	127305331
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	-142.12
Dipole, Da:	3.56
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-chlorophenyl)oxan-4-yl]-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)NCC(=O)NCCN2CCOCC2

DOS

IR

Vibrations