Geometry & MOs

Info

ID:	381117
PubChem CID:	134971765
Reduced:	N5O7C38H67 (1)
Stoich.:	A5B7C38D67 (1)
Weight, g/mol:	335.293663
ΔH_f, kcal/mol:	-405.4
Dipole, Da:	9.71
IP(EA), eV:	-8.71(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-(methylamino)cyclohexyl]methyl]cyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)OC(C)(C)C)C(=O)NCCCCN(CCCN(CCCNC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations