Geometry & MOs

Info

ID:	291202
PubChem CID:	111978150
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-46.69
Dipole, Da:	4.17
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[N-[(4-tert-butylphenyl)methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)NC3CCN(CC3)C(=O)OC

DOS

IR

Vibrations