Geometry & MOs

Info

ID:	270496
PubChem CID:	103636871
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	72.19
Dipole, Da:	4.67
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-cyanoanilino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(C2=CC=CC=C12)NCCC3=NC(=NO3)C

DOS

IR

Vibrations