Geometry & MOs

Info

ID:	52571
PubChem CID:	12015493
Reduced:	BrNOC27H34 (1)
Stoich.:	ABCD27E34 (1)
Weight, g/mol:	331.251129
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	1.43
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-5-methyl-2-[2-[[(E)-4-phenylmethoxybut-2-enyl]amino]propan-2-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)C/C(=C/C3=CC=CC=C3)/C)C4=CC=CC=C4Br

DOS

IR

Vibrations