Geometry & MOs

Info

ID:	180501
PubChem CID:	76644047
Reduced:	O2N6C31H44 (1)
Stoich.:	A2B6C31D44 (1)
Weight, g/mol:	388.272593
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	2.88
IP(EA), eV:	-9.04(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2-phenylmethoxycyclohexyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NCC2CCN(C(=O)C(N2)CCCN=C(N)N)CC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations