Geometry & MOs

Info

ID:	423915
PubChem CID:	135120749
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	3.73
IP(EA), eV:	-8.46(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-4-ethyl-2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol

Drug info:

PubChemData

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CCC1=NC(=C(N1)C)CN2C[C@H]3CCC[C@@]([C@H]3C2)(CC)O

DOS

IR

Vibrations