Geometry & MOs

Info

ID:	431728
PubChem CID:	135171831
Reduced:	ClO3N4C25H35 (1)
Stoich.:	AB3C4D25E35 (1)
Weight, g/mol:	253.240565
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	7.68
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-(2-methylpropyl)-N-pent-4-en-2-ylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)O)NC3=NN=C(C=C3)Cl

DOS

IR

Vibrations