Geometry & MOs

Info

ID:	349980
PubChem CID:	127276785
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-23.26
Dipole, Da:	6.19
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(tetrazol-1-yl)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)NC2=CN3C=C(N=C3C=C2)C

DOS

IR

Vibrations