Geometry & MOs

Info

ID:	369974
PubChem CID:	127336983
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	7.37
IP(EA), eV:	-9.69(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-2-(oxan-4-yl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)NCC(C3CCOCC3)O

DOS

IR

Vibrations