Geometry & MOs

Info

ID:	368861
PubChem CID:	127330831
Reduced:	O2N7C18H23 (1)
Stoich.:	A2B7C18D23 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-6.91
Dipole, Da:	7.21
IP(EA), eV:	-9.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(morpholine-4-carbonyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCNC2=O)C(=O)NCC3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations